1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide

C16H18N6O3 — CID 157016858

IUPAC1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c2c(NC(=O)c3cc(=O)n(C)c(=O)n3C)nn(C)c2n1
InChIInChI=1S/C16H18N6O3/c1-8-6-9(2)17-14-12(8)13(19-22(14)5)18-15(24)10-7-11(23)21(4)16(25)20(10)3/h6-7H,1-5H3,(H,18,19,24)
InChIKeyJBCPRCMKUYMILQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.23
Rot. Bonds2

About 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide

1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide (PubChem CID 157016858) has the molecular formula C16H18N6O3 and a molecular weight of 342.36 g/mol. Its IUPAC name is 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide
PubChem CID157016858
Molecular FormulaC16H18N6O3
Molecular Weight342.36 g/mol
Exact Mass342.14
IUPAC Name1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c2c(NC(=O)c3cc(=O)n(C)c(=O)n3C)nn(C)c2n1
InChIInChI=1S/C16H18N6O3/c1-8-6-9(2)17-14-12(8)13(19-22(14)5)18-15(24)10-7-11(23)21(4)16(25)20(10)3/h6-7H,1-5H3,(H,18,19,24)
InChIKeyJBCPRCMKUYMILQ-UHFFFAOYSA-N
XLogP0.23
TPSA103.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide?
The IUPAC name of 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide (CID 157016858) is 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide is Cc1cc(C)c2c(NC(=O)c3cc(=O)n(C)c(=O)n3C)nn(C)c2n1.
What is the InChIKey of 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide?
The InChIKey is JBCPRCMKUYMILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O3/c1-8-6-9(2)17-14-12(8)13(19-22(14)5)18-15(24)10-7-11(23)21(4)16(25)20(10)3/h6-7H,1-5H3,(H,18,19,24).
What are the key properties of 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide?
1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,6-dioxo-N-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 157016858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).